6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-4-[[1-(difluoromethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-methylbutyl)pyridine-3-carboxamide

C22H20F3N9O — CID 145219309

About 6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-4-[[1-(difluoromethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-methylbutyl)pyridine-3-carboxamide

6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-4-[[1-(difluoromethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-methylbutyl)pyridine-3-carboxamide (PubChem CID 145219309) has the molecular formula C22H20F3N9O and a molecular weight of 483.46 g/mol. Its IUPAC name is 6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-4-[[1-(difluoromethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-methylbutyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-4-[[1-(difluoromethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-methylbutyl)pyridine-3-carboxamide
• PubChem CID: 145219309
• Molecular Formula: C22H20F3N9O
• Molecular Weight: 483.46 g/mol
• Exact Mass: 483.17
• IUPAC Name: 6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-4-[[1-(difluoromethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-methylbutyl)pyridine-3-carboxamide
• SMILES: CC(C)C(F)CNC(=O)c1cnc(-c2cnn3cc(C#N)cnc23)cc1Nc1cnn(C(F)F)c1
• InChI: InChI=1S/C22H20F3N9O/c1-12(2)17(23)9-29-21(35)16-7-27-18(3-19(16)32-14-6-30-34(11-14)22(24)25)15-8-31-33-10-13(4-26)5-28-20(15)33/h3,5-8,10-12,17,22H,9H2,1-2H3,(H,27,32)(H,29,35)
• InChIKey: WKWZPFSEYBUCLT-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 125.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.46
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-4-[[1-(difluoromethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-methylbutyl)pyridine-3-carboxamide?

The IUPAC name of 6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-4-[[1-(difluoromethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-methylbutyl)pyridine-3-carboxamide (CID 145219309) is 6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-4-[[1-(difluoromethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-methylbutyl)pyridine-3-carboxamide.

What is the SMILES notation for 6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-4-[[1-(difluoromethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-methylbutyl)pyridine-3-carboxamide?

The canonical SMILES for 6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-4-[[1-(difluoromethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-methylbutyl)pyridine-3-carboxamide is CC(C)C(F)CNC(=O)c1cnc(-c2cnn3cc(C#N)cnc23)cc1Nc1cnn(C(F)F)c1.

What is the InChIKey of 6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-4-[[1-(difluoromethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-methylbutyl)pyridine-3-carboxamide?

The InChIKey is WKWZPFSEYBUCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N9O/c1-12(2)17(23)9-29-21(35)16-7-27-18(3-19(16)32-14-6-30-34(11-14)22(24)25)15-8-31-33-10-13(4-26)5-28-20(15)33/h3,5-8,10-12,17,22H,9H2,1-2H3,(H,27,32)(H,29,35).

What are the key properties of 6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-4-[[1-(difluoromethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-methylbutyl)pyridine-3-carboxamide?

6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-4-[[1-(difluoromethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-methylbutyl)pyridine-3-carboxamide has a molecular weight of 483.46 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-4-[[1-(difluoromethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-methylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 145219309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).